HMDB0286702 RDKit 3D PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 137136 0 0 0 0 0 0 0 0999 V2000 6.2060 -0.2488 -3.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0305 0.2728 -2.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8699 -0.8696 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 -1.1355 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 -0.2008 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4468 0.3834 0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 0.2975 1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 -0.4428 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8635 -1.5839 2.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9428 -2.4675 2.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 -2.2769 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 -3.1816 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -3.8399 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 -4.7613 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 -5.1244 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 -6.5368 -1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3791 -7.3890 -2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -7.0901 -3.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -7.2025 -4.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 -6.1954 -4.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 -4.9461 -5.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0784 -3.6871 -4.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 -2.5628 -4.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3997 -2.8109 -5.8037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 -1.3061 -4.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -0.3474 -4.8213 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7920 0.9879 -5.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 1.6123 -3.9879 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 2.9030 -4.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 3.4054 -5.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 3.7585 -3.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 4.1823 -1.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 3.0648 -1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 3.5161 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 4.5837 0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 4.5444 2.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2313 3.4160 3.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 3.9692 4.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 3.4755 4.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 2.2528 4.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 1.2927 5.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 0.7536 5.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6694 1.0048 5.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 -0.3127 5.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 -1.0191 3.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3088 -2.3182 3.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7346 -2.1232 3.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9297 -0.1118 -3.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 -1.2765 -3.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 -0.9187 -2.6801 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8974 0.0849 -3.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -2.2888 -2.4504 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.5715 -0.2149 -1.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4574 0.8485 -0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2293 1.5632 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 2.6342 0.3873 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5289 3.2161 -0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 3.6882 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4606 2.1314 0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 -0.5497 -3.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6575 0.5272 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9227 -1.1037 -3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 1.1108 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0623 0.6995 -1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7095 -1.5806 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 -2.0250 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 -0.8855 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 0.5223 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2725 0.9758 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 0.7758 2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 0.2633 1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -0.7815 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6671 -1.1798 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 -2.0135 2.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2939 -2.0292 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7352 -3.3486 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4115 -3.6013 0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3979 -5.2145 -1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 -4.8715 -2.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 -4.5253 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -6.8581 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -8.4288 -1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -6.2133 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -7.9619 -4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -8.1582 -3.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -6.3280 -5.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -4.7350 -6.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4171 -4.9379 -4.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1578 -3.7680 -3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 -3.4374 -4.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2411 -0.8298 -5.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 0.9762 -5.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 1.6461 -5.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 4.7154 -3.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 3.2898 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 4.9488 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7062 4.7184 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 2.2771 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 2.5640 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0351 2.6396 0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 3.9735 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 5.5282 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 5.4747 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8065 2.5756 2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 3.1859 3.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 4.8953 4.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 4.0005 5.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 1.7420 3.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 2.4514 3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 1.0518 5.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1446 0.0697 6.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 1.6715 4.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 1.4095 6.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4074 -0.1384 4.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2791 -0.9882 5.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -1.3116 4.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 -0.4661 3.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -2.7564 2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2577 -2.9941 4.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7538 -1.4847 2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3857 -1.6816 3.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0861 -3.1344 2.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5903 0.2535 -2.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6234 0.6498 -4.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3436 1.5869 -1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 0.4306 -1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 1.9970 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3658 0.9158 1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 3.5751 -1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2106 4.0686 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1361 2.4810 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 4.6968 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 3.5472 2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 3.5737 1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1617 1.8391 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2393 1.2749 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9141 2.9333 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 6 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 57129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 52 -1 56 1 M END